Project name: e4f69a01af36577

Chain sequence(s)	A: KLDLKLDLKLDL; C: KLDLKLDLKLDL; B: KLDLKLDLKLDL; E: KLDLKLDLKLDL; D: KLDLKLDLKLDL; G: KLDLKLDLKLDL; F: KLDLKLDLKLDL; I: KLDLKLDLKLDL; H: KLDLKLDLKLDL; K: KLDLKLDLKLDL; J: KLDLKLDLKLDL; M: KLDLKLDLKLDL; L: KLDLKLDLKLDL; O: KLDLKLDLKLDL; N: KLDLKLDLKLDL; Q: KLDLKLDLKLDL; P: KLDLKLDLKLDL; S: KLDLKLDLKLDL; R: KLDLKLDLKLDL; T: KLDLKLDLKLDL
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:32)

• Minimal score value: -2.5993
• Maximal score value: 1.9111
• Average score: -0.6416
• Total score value: -153.9836

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	K	A	-1.4283
2	L	A	0.3336
3	D	A	-1.0007
4	L	A	0.7767
5	K	A	-1.1023
6	L	A	0.4711
7	D	A	-1.3969
8	L	A	0.4630
9	K	A	-0.8383
10	L	A	0.7967
11	D	A	-0.4392
12	L	A	1.0904
1	K	B	-1.5614
2	L	B	-0.2549
3	D	B	-1.5052
4	L	B	-0.3262
5	K	B	-1.9742
6	L	B	-0.4520
7	D	B	-1.3882
8	L	B	-0.1360
9	K	B	-1.2808
10	L	B	-0.3417
11	D	B	-1.1799
12	L	B	0.6862
1	K	C	-1.2616
2	L	C	-0.1064
3	D	C	0.0000
4	L	C	-0.3060
5	K	C	-2.1446
6	L	C	-0.7937
7	D	C	-2.0478
8	L	C	-0.5519
9	K	C	-1.7886
10	L	C	-0.6326
11	D	C	-1.3622
12	L	C	0.5696
1	K	D	-2.2095
2	L	D	-0.7730
3	D	D	-1.5909
4	L	D	-0.4901
5	K	D	-2.0084
6	L	D	-0.7359
7	D	D	-1.5462
8	L	D	-0.3766
9	K	D	-1.2008
10	L	D	-0.1393
11	D	D	-0.5219
12	L	D	1.3618
1	K	E	-2.2679
2	L	E	-0.9657
3	D	E	-1.4866
4	L	E	-0.3477
5	K	E	-1.8078
6	L	E	-0.4991
7	D	E	-1.4124
8	L	E	-0.1723
9	K	E	-1.0531
10	L	E	0.0537
11	D	E	-0.5108
12	L	E	1.3765
1	K	F	-0.7366
2	L	F	-0.0648
3	D	F	0.0000
4	L	F	-0.1608
5	K	F	-1.4659
6	L	F	-0.4301
7	D	F	-1.1506
8	L	F	-0.2938
9	K	F	-1.1462
10	L	F	-0.5101
11	D	F	-1.3703
12	L	F	0.6140
1	K	G	-1.1673
2	L	G	-0.1327
3	D	G	-0.9746
4	L	G	-0.1045
5	K	G	-1.4769
6	L	G	-0.5956
7	D	G	-1.4600
8	L	G	-0.3448
9	K	G	-1.1286
10	L	G	-0.1115
11	D	G	-0.6551
12	L	G	1.0665
1	K	H	-0.8245
2	L	H	-0.1509
3	D	H	-1.1607
4	L	H	-0.6014
5	K	H	-2.1489
6	L	H	-1.0405
7	D	H	-1.6570
8	L	H	-0.3304
9	K	H	-1.0326
10	L	H	-0.2024
11	D	H	-1.2498
12	L	H	0.9586
1	K	I	-0.9218
2	L	I	0.0264
3	D	I	0.0000
4	L	I	-0.2588
5	K	I	-1.7458
6	L	I	-0.9553
7	D	I	-1.6005
8	L	I	-0.4394
9	K	I	-1.0649
10	L	I	-0.0794
11	D	I	-0.7269
12	L	I	1.1513
1	K	J	-0.7474
2	L	J	-0.1764
3	D	J	-0.8919
4	L	J	-0.2114
5	K	J	-1.4500
6	L	J	-0.4770
7	D	J	-1.3764
8	L	J	-0.1897
9	K	J	-1.0444
10	L	J	-0.1729
11	D	J	-1.1838
12	L	J	0.9982
1	K	K	-0.9885
2	L	K	-0.1694
3	D	K	-1.0612
4	L	K	-0.1446
5	K	K	-1.1966
6	L	K	-0.1037
7	D	K	-0.8431
8	L	K	0.0137
9	K	K	-0.9620
10	L	K	-0.4748
11	D	K	-1.2186
12	L	K	0.6199
1	K	L	-2.2532
2	L	L	-0.8659
3	D	L	-1.1474
4	L	L	0.1106
5	K	L	-0.8188
6	L	L	0.1145
7	D	L	-0.8860
8	L	L	-0.2274
9	K	L	-1.0931
10	L	L	0.0043
11	D	L	-0.3661
12	L	L	1.4927
1	K	M	-2.5993
2	L	M	-1.1043
3	D	M	-1.1010
4	L	M	0.0714
5	K	M	-0.9820
6	L	M	0.0767
7	D	M	-1.2641
8	L	M	-0.2683
9	K	M	-1.1187
10	L	M	0.2721
11	D	M	0.0355
12	L	M	1.9111
1	K	N	-1.9837
2	L	N	-0.6338
3	D	N	-0.9231
4	L	N	0.0720
5	K	N	-1.1786
6	L	N	-0.3538
7	D	N	-1.4031
8	L	N	-0.4874
9	K	N	-1.2561
10	L	N	-0.0122
11	D	N	-0.3498
12	L	N	1.4403
1	K	O	-0.9107
2	L	O	-0.1413
3	D	O	-1.3309
4	L	O	-0.5525
5	K	O	-1.9839
6	L	O	-0.6342
7	D	O	-1.3533
8	L	O	-0.2189
9	K	O	-1.1253
10	L	O	-0.4767
11	D	O	-1.6212
12	L	O	0.3936
1	K	P	-2.3957
2	L	P	-0.9529
3	D	P	-1.4235
4	L	P	-0.3869
5	K	P	-1.7949
6	L	P	-0.7978
7	D	P	-1.8646
8	L	P	-0.6248
9	K	P	-1.4154
10	L	P	-0.2190
11	D	P	-0.4264
12	L	P	1.4131
1	K	Q	-2.4289
2	L	Q	-0.9544
3	D	Q	-1.5407
4	L	Q	-0.4100
5	K	Q	-1.7959
6	L	Q	-0.8231
7	D	Q	-1.5175
8	L	Q	-0.6036
9	K	Q	-1.2555
10	L	Q	-0.0707
11	D	Q	-0.6344
12	L	Q	1.3667
1	K	R	-1.6062
2	L	R	-0.2559
3	D	R	0.0000
4	L	R	0.2766
5	K	R	-1.0608
6	L	R	-0.0774
7	D	R	-1.0087
8	L	R	-0.0632
9	K	R	-1.2763
10	L	R	-0.4819
11	D	R	-1.4299
12	L	R	0.5320
1	K	S	-1.4547
2	L	S	0.2781
3	D	S	-0.8134
4	L	S	0.6310
5	K	S	-1.2582
6	L	S	0.2847
7	D	S	-1.0459
8	L	S	0.4327
9	K	S	-1.0905
10	L	S	0.0684
11	D	S	-1.1426
12	L	S	0.5410
1	K	T	-1.2933
2	L	T	-0.2447
3	D	T	0.0000
4	L	T	-0.1069
5	K	T	-1.3350
6	L	T	-0.3139
7	D	T	-0.9812
8	L	T	-0.0579
9	K	T	-1.1688
10	L	T	-0.6246
11	D	T	-1.5655
12	L	T	0.3636